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DFT energy prediction on ANI-Al

0.0816MAE (Config, eV)

SchNet

-1.77461210.75481923.2842535.813681Oct 14, 2022
Updated 1mo ago

Evaluation Results

MethodLinks
2022.10
0.08160.000653.27
2022.10
0.08450.000751.24
2022.10
0.12960.00126
2022.10
0.13920.001141.65
2022.10
0.16930.0014-
2022.10
0.16970.001322.13
2022.10
0.17440.001419.12
2022.10
0.17860.001418.14
2022.10
0.17860.001425.44
2022.10
0.21530.0017-
2022.10
0.22060.00177.8
2022.10
0.2410.0019-
2022.10
46.48690.3561-